5-nitro-1,1-di(propan-2-yl)indol-1-ium-2-thiolate

Systemtic Name: 5-nitro-1,1-di(propan-2-yl)indol-1-ium-2-thiolate Openeye Name: 1,1-diisopropyl-5-nitro-indol-1-ium-2-thiolate CAS Name: 5-nitro-1,1-di(propan-2-yl)-2-indol-1-iumthiolate IUPAC Name: 5-nitro-1,1-di(propan-2-yl)indol-1-ium-2-thiolate Traditional Name: 1,1-diisopropyl-5-nitro-indol-1-ium-2-thiolate Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1[S-])C(C)C

Isomeric SMILES

CC(C)[N+]1(C2=C(C=C(C=C2)[N+](=O)[O-])C=C1[S-])C(C)C

InChI

InChI=1S/C14H18N2O2S/c1-9(2)16(10(3)4)13-6-5-12(15(17)18)7-11(13)8-14(16)19/h5-10H,1-4H3